2-NAFTOILMETIL TIOCIANATO , CAS No.19339-62-9

CAS: 19339-62-9 Cat. No.: N168257 Peso molecular: 227.287 Número EC: 654-828-8
Disponible para pedir
Synonyms
3-08-00-01141 (Beilstein Handbook Reference) | FT-0637828 | NSC100758 | NSC-100758 | Thiocyanic acid, 2-(2-naphthalenenyl)2-oxoethyl ester (9CI) | (2-naphthalen-2-yl-2-oxoethyl) thiocyanate | 2-(cyanosulfanyl)-1-(naphthalen-2-yl)ethan-1-one | Thiocyanic a
Storage
Temperatura ambiente
Shipped In
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Size
Estado
Price
Qty
1g
N168257-1g
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
198,90US$
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Why this grade

for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Temperatura ambiente Ships Normal Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Sinónimos
3-08-00-01141 (Beilstein Handbook Reference) | FT-0637828 | NSC100758 | NSC-100758 | Thiocyanic acid, 2-(2-naphthalenenyl)2-oxoethyl ester (9CI) | (2-naphthalen-2-yl-2-oxoethyl) thiocyanate | 2-(cyanosulfanyl)-1-(naphthalen-2-yl)ethan-1-one | Thiocyanic a
Condiciones de almacenamiento de almacenamiento
Temperatura ambiente
Enviado en
Normal
Nombres e identificadores
Sonrisas canónicasC1=CC=C2C=C(C=CC2=C1)C(=O)CSC#N
IUPAC Name(2-naphthalen-2-yl-2-oxoethyl) thiocyanate
InChIKeyFGMSBOSKVIWYEW-UHFFFAOYSA-N
INCHI1S/C13H9NOS/c14-9-16-8-13(15)12-6-5-10-3-1-2-4-11(10)7-12/h1-7H,8H2
Isómeros SMILES C1=CC=C2C=C(C=CC2=C1)C(=O)CSC#N
Peso molecular 227.287
Reaxy-Rn 2645976
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2645976&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassBenzenoids
ClaseNaphthalenes
SubclassNot available
Intermediate Tree Nodes Not available
Direct ParentNaphthalenes
Alternative Parents Aryl alkyl ketones  Thiocyanates  Sulfenyl compounds  Organopnictogen compounds  Organonitrogen compounds  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic homopolycyclic compounds
Substituents Naphthalene - Aryl alkyl ketone - Aryl ketone - Ketone - Sulfenyl compound - Thiocyanate - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Aromatic homopolycyclic compound
DescripciónThis compound belongs to the class of organic compounds known as naphthalenes. These are compounds containing a naphthalene moiety, which consists of two fused benzene rings.
External Descriptors Not available
Estructura 3D
Modelo de Estructura Química Interactiva





Certificados (CoA, COO, BSE/TSE y tabla de análisis)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Propiedades químicas y físicas
Peso molecular227.280 g/mol
XLogP33.600
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass227.04 Da
Monoisotopic Mass227.04 Da
Topological Polar Surface Area66.200 Ų
Heavy Atom Count16
Formal Charge0
Complexity306.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Calculadoras de soluciones
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